(Q105246572)

English

(3S,5R,8R,9S,10R,13R,14S,17R)-14-hydroxy-3-[(2R,3R,4S,5S,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

14-hydroxy-3-(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

mass

562.314183052 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₆O₉

0 references

canonical SMILES

O=CC12CCC(OC3OC(C)C(O)C(OC)C3OC)CC2CCC4C1CCC5(C)C(C6=CC(=O)OC6)CCC45O

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isomeric SMILES

CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@@H]3C2)[C@@H]1OC

0 references

found in taxon

Streblus asper

1 reference

stated in

Two New Cardenolide Glycosides from Streblus asper

Identifiers

InChI

InChI=1S/C31H46O9/c1-17-25(34)26(36-3)27(37-4)28(39-17)40-20-7-11-30(16-32)19(14-20)5-6-23-22(30)8-10-29(2)21(9-12-31(23,29)35)18-13-24(33)38-15-18/h13,16-17,19-23,25-28,34-35H,5-12,14-15H2,1-4H3/t17-,19-,20+,21-,22+,23-,25+,26+,27-,28+,29-,30-,31+/m1/s1

0 references

InChIKey

RWMIDFKXUZOZMK-NZIGLFCQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RWMIDFKXUZOZMK-NZIGLFCQSA-N

(Q105246572)

(3S,5R,8R,9S,10R,13R,14S,17R)-14-hydroxy-3-[(2R,3R,4S,5S,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde

Statements

Identifiers

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